SCHEMBL13397802

SCHEMBL13397802

COc1ccc(C2(c3ccc(OP(C)(=O)c4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
AGTR1 P30556 1/20 0.37
CYP2C19 P33261 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15457022 0.86 PKM (0.46) HTTPKMHPGDKMT2AMAPT
SCHEMBL13397950 0.84 MAPT (0.38) HTTPKMHPGDKMT2AMAPT
SCHEMBL13397921 0.84 HTT (0.57) HTTPKMHPGDMAPTLMNA
SCHEMBL20414407 0.82 KMT2A (0.53) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL1702667 0.82 MAPT (0.57) HPGDKMT2AMAPTMEN1LMNA
SCHEMBL30873770 0.82 MAPT (0.57) HPGDKMT2AMAPTMEN1LMNA
SCHEMBL9160237 0.81 MEN1 (0.46) HTTPKMKMT2AMAPTMEN1
SCHEMBL13397756 0.79 LTA4H (0.57) HTTPKMHPGDKMT2AMAPT
SCHEMBL13321959 0.79 LTA4H (0.40) HTTPKMHPGDKMT2AMAPT
SCHEMBL13397754 0.79 HTT (0.49) HTTPKMHPGDLMNANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642165-B2 Organic-inorganic hybrid composition FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-20100104842-A1 ORGANIC-INORGANIC HYBRID COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-29 US disclosed